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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50013057   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562487
PNG
(CHEMBL4757504)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562491
PNG
(CHEMBL4744710)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3cccnc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562489
PNG
(CHEMBL4750401)
Show SMILES ONC(=O)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562492
PNG
(CHEMBL4752147)
Show SMILES Cn1c2ccccc2c(C2CCCCC2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562490
PNG
(CHEMBL4793901)
Show SMILES ONC(=O)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562488
PNG
(CHEMBL4787955)
Show SMILES Cn1c2ccccc2c(-c2cccnc2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562482
PNG
(CHEMBL4777726)
Show SMILES COc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562485
PNG
(CHEMBL4785871)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(CC#C)c2=O)cc1
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n/an/a 82n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562486
PNG
(CHEMBL4743692)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562483
PNG
(CHEMBL4782170)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccccc3)c2=O)cc1
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n/an/a 85n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562484
PNG
(CHEMBL4796822)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
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n/an/a 147n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562495
PNG
(CHEMBL4790834)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
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n/an/a 176n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562493
PNG
(CHEMBL4741473)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(-c3cccnc3)c(O)c2=O)cc1
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n/an/a 296n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562481
PNG
(CHEMBL4746040)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(-c3ccccc3)c(O)c2=O)cc1
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n/an/a 308n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562491
PNG
(CHEMBL4744710)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3cccnc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 319n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562487
PNG
(CHEMBL4757504)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 322n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50562491
PNG
(CHEMBL4744710)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3cccnc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Fluor-de-Lys as substrate measured after 1 hr by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562494
PNG
(CHEMBL4795944)
Show SMILES Cn1c2ccccc2c(-c2ccccc2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 519n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50562487
PNG
(CHEMBL4757504)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Fluor-de-Lys as substrate measured after 1 hr by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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Article
PubMed
n/an/a 695n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Fluor-de-Lys as substrate measured after 1 hr by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50562496
PNG
(CHEMBL4785403)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(C3CCN(Cc4ccccc4)CC3)c2=O)cc1
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n/an/a 870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562486
PNG
(CHEMBL4743692)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50562492
PNG
(CHEMBL4752147)
Show SMILES Cn1c2ccccc2c(C2CCCCC2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 1.64E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Fluor-de-Lys as substrate measured after 1 hr by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562490
PNG
(CHEMBL4793901)
Show SMILES ONC(=O)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562489
PNG
(CHEMBL4750401)
Show SMILES ONC(=O)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562492
PNG
(CHEMBL4752147)
Show SMILES Cn1c2ccccc2c(C2CCCCC2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562482
PNG
(CHEMBL4777726)
Show SMILES COc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562488
PNG
(CHEMBL4787955)
Show SMILES Cn1c2ccccc2c(-c2cccnc2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 5.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562483
PNG
(CHEMBL4782170)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccccc3)c2=O)cc1
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562485
PNG
(CHEMBL4785871)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(CC#C)c2=O)cc1
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562484
PNG
(CHEMBL4796822)
Show SMILES ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50562481
PNG
(CHEMBL4746040)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(-c3ccccc3)c(O)c2=O)cc1
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
More data for this
Ligand-Target Pair